⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL310102 | 0.76 | — | — | |
| SCHEMBL14232086 | 0.71 | GAA (0.41) | — | |
| SCHEMBL21997178 | 0.71 | GAA (0.38) | — | |
| SCHEMBL1461002 | 0.69 | GAA (0.37) | — | |
| SCHEMBL1514992 | 0.67 | — | — | |
| SCHEMBL28979903 | 0.65 | ALDH1A1 (0.43) | — | |
| SCHEMBL29892531 | 0.65 | ALDH1A1 (0.34) | — | |
| SCHEMBL4664749 | 0.58 | GAA (0.62) | — | |
| SCHEMBL123915 | 0.58 | — | — | |
| SCHEMBL2928083 | 0.57 | F2 (0.38) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9801960-B2 | Probe for a biological specimen and labelling method and screening method using the probe | CANON KABUSHIKI KAISHA (JP) | 2017-10-31 | — | — | US | disclosed |
| US-9801960-B2 | Probe for a biological specimen and labelling method and screening method using the probe | CANON KABUSHIKI KAISHA (JP) | 2017-10-31 | — | — | US | disclosed |
| US-20150157745-A1 | PROBE FOR A BIOLOGICAL SPECIMEN AND LABELLING METHOD AND SCREENING METHOD USING THE PROBE | CANON KK (JP) | 2015-06-11 | — | — | US | disclosed |
| US-20150157745-A1 | PROBE FOR A BIOLOGICAL SPECIMEN AND LABELLING METHOD AND SCREENING METHOD USING THE PROBE | CANON KK (JP) | 2015-06-11 | — | — | US | disclosed |
| US-20110243850-A1 | PROBE FOR A BIOLOGICAL SPECIMEN AND LABELLING METHOD AND SCREENING METHOD USING THE PROBE | CANON KABUSHIKI KAISHA (JP) | 2011-10-06 | — | — | US | disclosed |
| US-20110243850-A1 | PROBE FOR A BIOLOGICAL SPECIMEN AND LABELLING METHOD AND SCREENING METHOD USING THE PROBE | CANON KABUSHIKI KAISHA (JP) | 2011-10-06 | — | — | US | disclosed |